Geometry & MOs

Info

ID:	334984
PubChem CID:	127253790
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	3.43
IP(EA), eV:	-8.32(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)NC5=CC6=C(C=C5)OCCCO6

DOS

IR

Vibrations