Geometry & MOs

Info

ID:	245762
PubChem CID:	103023848
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	4.35
IP(EA), eV:	-9.27(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)cyclopentyl]-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CC2CCNC2

DOS

IR

Vibrations