Geometry & MOs

Info

ID:	175071
PubChem CID:	75850963
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	4.83
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yloxyethyl 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCCCC#N)OCC

DOS

IR

Vibrations