Geometry & MOs

Info

ID:

415027

PubChem CID:

135088007

Reduced:

N7O7C33H45 (1)

Stoich.:

A7B7C33D45 (1)

Weight, g/mol:

320.201927

ΔHf, kcal/mol:

-279.67

Dipole, Da:

11.57

IP(EA), eV:

 -9.19(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6aR)-5-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC=CN4)O

DOS

IR

Vibrations