Geometry & MOs

Info

ID:	215935
PubChem CID:	85085463
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	197.024356
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	3.83
IP(EA), eV:	-9.68(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 3-(3-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCC=CC(C)NC(=O)C

DOS

IR

Vibrations