Geometry & MOs

Info

ID:	136382
PubChem CID:	52031438
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-175.12
Dipole, Da:	2.17
IP(EA), eV:	-8.45(-0.3)
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-diethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations