Geometry & MOs

Info

ID:	253795
PubChem CID:	103120690
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	14.88
Dipole, Da:	5.09
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CNCCN1C(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations