Geometry & MOs

Info

ID:	142614
PubChem CID:	53066989
Reduced:	ClO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	-16.0
Dipole, Da:	5.53
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCC3=C(C2)C(=NN3C)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations