Geometry & MOs

Info

ID:	204768
PubChem CID:	80005546
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-8.36
Dipole, Da:	1.67
IP(EA), eV:	-8.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,6-dimethylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2C)N)C

DOS

IR

Vibrations