Geometry & MOs

Info

ID:	136381
PubChem CID:	52031229
Reduced:	ClFN2O3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	4.65
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CCN2C(=O)COC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations