Geometry & MOs

Info

ID:	424301
PubChem CID:	135122137
Reduced:	NC17H20 (2)
Stoich.:	AB17C20 (2)
Weight, g/mol:	499.210721
ΔH_f, kcal/mol:	54.15
Dipole, Da:	1.83
IP(EA), eV:	-7.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethylpyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CCN(C2=CC=C(C=C2)CC)C3=CC=C(C=C3)CC)C4=CC=C(C=C4)CC

DOS

IR

Vibrations