Geometry & MOs

Info

ID:	245786
PubChem CID:	103023931
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	2.93
IP(EA), eV:	-9.25(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)cyclohexyl]-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)CNCCOC

DOS

IR

Vibrations