Geometry & MOs

Info

ID:	149824
PubChem CID:	53789501
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	544.38175
ΔH_f, kcal/mol:	-133.73
Dipole, Da:	5.11
IP(EA), eV:	-8.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)propyl]phenyl]-4-methylcyclohexyl]phenyl]propyl]-3-methylaniline

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(N1S(=O)(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations