Geometry & MOs

Info

ID:	180500
PubChem CID:	76644011
Reduced:	ON2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	532.352575
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	6.09
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(CN1CCC(NC(C1=O)CCCN)CNC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations