Geometry & MOs

Info

ID:	394977
PubChem CID:	135024344
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	397.251798
ΔH_f, kcal/mol:	-40.31
Dipole, Da:	8.26
IP(EA), eV:	-8.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-N,1,5-tribenzyl-2,3,4,6-tetrahydro-1,5-diazocin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CC(=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

DOS

IR

Vibrations