Geometry & MOs

Info

ID:	174554
PubChem CID:	75783334
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-153.83
Dipole, Da:	5.19
IP(EA), eV:	-8.44(-0.31)
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-(5-methyl-2-propan-2-ylphenoxy)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations