Geometry & MOs

Info

ID:	30061
PubChem CID:	839395
Reduced:	NO6H15C17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-205.54
Dipole, Da:	2.09
IP(EA), eV:	-9.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)OC

DOS

IR

Vibrations