Geometry & MOs

Info

ID:	46307
PubChem CID:	10523817
Reduced:	O5C23H24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-169.56
Dipole, Da:	4.16
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4,5-bis(hydroxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC=C1O)C(=O)C2=C(C=C(C3=C2OC(C=C3)(C)C)O)O)C

DOS

IR

Vibrations