Geometry & MOs

Info

ID:	245824
PubChem CID:	103024110
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	1.43
Dipole, Da:	2.63
IP(EA), eV:	-9.51(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-methylpyrazol-4-yl)heptan-3-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)CC(C2CC2)N

DOS

IR

Vibrations