Geometry & MOs

Info

ID:	371782
PubChem CID:	131271632
Reduced:	ClIO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	1.99
IP(EA), eV:	-9.77(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminophenyl)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC(=C(C=C1)I)C(=O)OC)Cl

DOS

IR

Vibrations