Geometry & MOs

Info

ID:	435192
PubChem CID:	135183858
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	476.267508
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	5.21
IP(EA), eV:	-9.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[5-(3-hydroxypropyl)-3-(4-methylphenyl)-4-phenylpyrazol-1-yl]methyl]cyclohexyl]methoxy]acetic acid

Drug info:

PubChemData

Smile

CCC(=C)C.C=CC(=O)O

DOS

IR

Vibrations