Geometry & MOs

Info

ID:	207121
PubChem CID:	80350179
Reduced:	NOCl2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	302.095269
ΔH_f, kcal/mol:	-59.08
Dipole, Da:	4.65
IP(EA), eV:	-8.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-amino-4,5-dichloroanilino)methyl]-3-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=CC(=C(C=C2N)Cl)Cl

DOS

IR

Vibrations