Geometry & MOs

Info

ID:	142616
PubChem CID:	53067841
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	373.133888
ΔH_f, kcal/mol:	14.36
Dipole, Da:	5.33
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-5-pyridin-4-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCCCCC3)C4=CN=CC=C4

DOS

IR

Vibrations