Geometry & MOs

Info

ID:	245810
PubChem CID:	103024051
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	1.33
IP(EA), eV:	-9.37(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminophenyl)-5-(2-methylpyrazol-3-yl)pentan-3-one

Drug info:

PubChemData

Smile

CCCOCCC(=O)CCC1=CN(N=C1)C

DOS

IR

Vibrations