Geometry & MOs

Info

ID:	245821
PubChem CID:	103024097
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	2.25
IP(EA), eV:	-9.28(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC(=O)CCC1=CN(N=C1)C)CN

DOS

IR

Vibrations