Geometry & MOs

Info

ID:	1527
PubChem CID:	4646
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	4.07
IP(EA), eV:	-9.52(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O

DOS

IR

Vibrations