Geometry & MOs

Info

ID:	190334
PubChem CID:	77988413
Reduced:	FN4O4H25C27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	6.57
IP(EA), eV:	-8.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCCC(=O)NC2=C(C=CC(=C2)CC3C4=CC=CC=C4C(=O)N=N3)F

DOS

IR

Vibrations