Geometry & MOs

Info

ID:	182770
PubChem CID:	76936562
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	6.47
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-4-(2-methylimidazol-1-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC2C(=O)NC)C=CC(=O)O

DOS

IR

Vibrations