Geometry & MOs

Info

ID:	356028
PubChem CID:	127291057
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-158.54
Dipole, Da:	2.29
IP(EA), eV:	-9.37(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(oxan-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NC2CCCOC2

DOS

IR

Vibrations