Geometry & MOs

Info

ID:	136386
PubChem CID:	52031442
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	4.03
IP(EA), eV:	-8.22(-0.19)
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-[2-(4-methylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)NCC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations