Geometry & MOs

Info

ID:	174553
PubChem CID:	75783333
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-148.59
Dipole, Da:	5.2
IP(EA), eV:	-8.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-propan-2-ylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=CC(=C2)NC(=O)C(C)OC3=CC=C(C=C3)CC)OC(C1=O)C

DOS

IR

Vibrations