Geometry & MOs

Info

ID:	189711
PubChem CID:	77893595
Reduced:	ClNC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	175.1361
ΔH_f, kcal/mol:	12.86
Dipole, Da:	3.24
IP(EA), eV:	-9.3(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylphenyl)methyl]but-2-en-1-amine

Drug info:

PubChemData

Smile

CC=C(CC1=CC(=CC=C1)Cl)CN

DOS

IR

Vibrations