Geometry & MOs

Info

ID:	255626
PubChem CID:	103133530
Reduced:	ON4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	48.71
Dipole, Da:	6.07
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=NC=C(C=C2)N

DOS

IR

Vibrations