Geometry & MOs

Info

ID:	255629
PubChem CID:	103133575
Reduced:	ON3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	1.97
IP(EA), eV:	-8.54(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-methylpyrazol-3-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCN(CC2)CCCCN

DOS

IR

Vibrations