Geometry & MOs

Info

ID:	148474
PubChem CID:	53788136
Reduced:	N3C22H43 (1)
Stoich.:	A3B22C43 (1)
Weight, g/mol:	439.166269
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	4.86
IP(EA), eV:	-9.04(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 7-chloro-2-oxo-5-propan-2-ylspiro[4H-1,4-benzodiazepine-3,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1=NC=CN1CCN

DOS

IR

Vibrations