Geometry & MOs

Info

ID:	178213
PubChem CID:	76295682
Reduced:	O3N5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	482.154325
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	0.64
IP(EA), eV:	-8.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1=CC=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations