Geometry & MOs

Info

ID:	64927
PubChem CID:	29204209
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	47.38
Dipole, Da:	3.67
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations