Geometry & MOs

Info

ID:	367354
PubChem CID:	127324306
Reduced:	O2N5C15H29 (1)
Stoich.:	A2B5C15D29 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	8.48
IP(EA), eV:	-8.23(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations