Geometry & MOs

Info

ID:	405426
PubChem CID:	135073875
Reduced:	OPC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	4.65
IP(EA), eV:	-9.55(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(3-cyanophenyl)hex-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)P(=O)(CCC=C)CCC=C

DOS

IR

Vibrations