Geometry & MOs

Info

ID:	31859
PubChem CID:	3721308
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	472.247441
ΔH_f, kcal/mol:	-91.44
Dipole, Da:	5.6
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)N(C)C

DOS

IR

Vibrations