Geometry & MOs

Info

ID:	302179
PubChem CID:	124360316
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	400.05349
ΔH_f, kcal/mol:	-175.45
Dipole, Da:	3.95
IP(EA), eV:	-8.45(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-bromophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCCCC1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations