Geometry & MOs

Info

ID:	423105
PubChem CID:	135118949
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	311.236148
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	3.39
IP(EA), eV:	-9.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-(1H-indol-4-ylmethyl)-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations