Geometry & MOs

Info

ID:	165117
PubChem CID:	74502352
Reduced:	ON3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	350.186852
ΔH_f, kcal/mol:	46.24
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773341
Charge, e:	1

Chem-info

IUPAC name:

3-(2,6-dimethylmorpholin-4-ium-4-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C2C(=NC3=CC=CC=C3NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations