Geometry & MOs

Info

ID:	254050
PubChem CID:	103122401
Reduced:	ClON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	19.21
Dipole, Da:	5.03
IP(EA), eV:	-9.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C3C=NC=CN3N=C2)CCl

DOS

IR

Vibrations