Geometry & MOs

Info

ID:	153013
PubChem CID:	56312128
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	431.202048
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	2.95
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations