Geometry & MOs

Info

ID:	411273
PubChem CID:	135084086
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	4.83
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OOC)NC(=O)C

DOS

IR

Vibrations