Geometry & MOs

Info

ID:	136387
PubChem CID:	52031459
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	0.47
IP(EA), eV:	-8.73(-0.34)
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-(3,4-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

DOS

IR

Vibrations