Geometry & MOs

Info

ID:	203575
PubChem CID:	79847218
Reduced:	ClNSO2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	5.85
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methylaniline

Drug info:

PubChemData

Smile

CC1(CCCC(C1NC)S(=O)(=O)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations