Geometry & MOs

Info

ID:	136697
PubChem CID:	52086601
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	4.56
IP(EA), eV:	-8.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC3=C(C=C2)O[C@@H](C(=O)N3CC)C

DOS

IR

Vibrations