Geometry & MOs

Info

ID:

326525

PubChem CID:

126687720

Reduced:

N7O13C52H91 (1)

Stoich.:

A7B13C52D91 (1)

Weight, g/mol:

153.126598

ΔHf, kcal/mol:

-731.24

Dipole, Da:

17.01

IP(EA), eV:

 -9.89(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-(4-methylpiperazin-2-ylidene)methyl]ethanimine

Drug info:

PubChemData

Smile

CCC[C@@H]1C(=O)N[C@H](C(=O)O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O)CCCCCCCCCC(C)C)CC(C)C

DOS

IR

Vibrations