Geometry & MOs

Info

ID:	245774
PubChem CID:	103023901
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	3.0
IP(EA), eV:	-9.02(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(aminomethyl)oxolan-2-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations