Geometry & MOs

Info

ID:	382893
PubChem CID:	134974319
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	6.43
Dipole, Da:	4.82
IP(EA), eV:	-8.96(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,7R)-1-methyl-2,7-diphenyl-3-propan-2-yl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N([C@H](CC(=O)N1)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations