Geometry & MOs

Info

ID:	131439
PubChem CID:	51204634
Reduced:	ClO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	7.49
Dipole, Da:	7.07
IP(EA), eV:	-8.62(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations