Geometry & MOs

Info

ID:	268511
PubChem CID:	103599689
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	4.94
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoylamino]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations