Geometry & MOs

Info

ID:	373425
PubChem CID:	131315038
Reduced:	SO3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	161.120449
ΔH_f, kcal/mol:	-101.08
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylphenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=CS2)CC(=O)O)OC

DOS

IR

Vibrations