Geometry & MOs

Info

ID:	254053
PubChem CID:	103122406
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	10.32
Dipole, Da:	2.53
IP(EA), eV:	-9.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1Cl)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations