Geometry & MOs

Info

ID:	350211
PubChem CID:	127277289
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	2.44
IP(EA), eV:	-9.54(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations