Geometry & MOs

Info

ID:	407271
PubChem CID:	135079720
Reduced:	PO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-170.95
Dipole, Da:	2.09
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-benzamido-3-cyclopropylprop-2-enoic acid

Drug info:

PubChemData

Smile

COP(=O)(/C(=C/C1=CC=CC2=CC=CC=C21)/OC(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations