Geometry & MOs

Info

ID:	244312
PubChem CID:	99343940
Reduced:	ClOSN7C24H26 (1)
Stoich.:	ABCD7E24F26 (1)
Weight, g/mol:	378.088353
ΔH_f, kcal/mol:	78.98
Dipole, Da:	3.82
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CN(N=C2)CC3=CC=NC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations