Geometry & MOs

Info

ID:	435888
PubChem CID:	135192685
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	2.61
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-butan-2-yl-4-(2,4-dimethoxybenzoyl)-2-ethyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCC/C=C/C1=C2C(=CC=C1)N(C(=O)C(O2)C)C

DOS

IR

Vibrations