Geometry & MOs

Info

ID:	350198
PubChem CID:	127277276
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	4.61
IP(EA), eV:	-8.18(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations