Geometry & MOs

Info

ID:	148999
PubChem CID:	53788670
Reduced:	NPO5C7H14 (1)
Stoich.:	ABC5D7E14 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-254.02
Dipole, Da:	1.41
IP(EA), eV:	-10.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-ethoxycarbonylphenyl)-4-(imidazol-1-ylmethyl)pent-4-enyl]benzoic acid

Drug info:

PubChemData

Smile

CC=CC(=O)N(CCCP(=O)(O)O)O

DOS

IR

Vibrations