Geometry & MOs

Info

ID:	137144
PubChem CID:	52158844
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	8.24
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[(1R)-1-(4-chlorophenyl)ethyl]pyrazol-3-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1NC(=O)[C@]3(C(=O)NC4=C(O3)C=CC(=C4)C)C

DOS

IR

Vibrations