Geometry & MOs

Info

ID:	58612
PubChem CID:	24712292
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	33.75
Dipole, Da:	3.03
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1C(=O)NCC2=CN=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations