Geometry & MOs

Info

ID:	435963
PubChem CID:	135193046
Reduced:	NC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	237.155121
ΔH_f, kcal/mol:	95.03
Dipole, Da:	2.05
IP(EA), eV:	-8.48(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)sulfanylheptan-1-amine

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C/C=C\C=C/CN2

DOS

IR

Vibrations