Geometry & MOs

Info

ID:	143305
PubChem CID:	53184404
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	5.77
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)spiro[4,5-dihydro-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COCCNC1=NC2=CC=CC=C2CNC13CCN(C3)C(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations