Geometry & MOs

Info

ID:	144742
PubChem CID:	53405817
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-31.13
Dipole, Da:	6.34
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=CC(=O)O)C5=CC=CC=C5

DOS

IR

Vibrations