Geometry & MOs

Info

ID:	245815
PubChem CID:	103024058
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	4.64
IP(EA), eV:	-9.06(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations