Geometry & MOs

Info

ID:	268512
PubChem CID:	103599700
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	2.49
Dipole, Da:	5.52
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N)NC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations