Geometry & MOs

Info

ID:	367236
PubChem CID:	127324013
Reduced:	ON3C8H14 (2)
Stoich.:	AB3C8D14 (2)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-64.28
Dipole, Da:	2.6
IP(EA), eV:	-8.76(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylpropyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC(C)N3CCOCC3

DOS

IR

Vibrations