Geometry & MOs

Info

ID:	350202
PubChem CID:	127277280
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	3.45
IP(EA), eV:	-8.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)N3CCOCC3

DOS

IR

Vibrations