Geometry & MOs

Info

ID:	292267
PubChem CID:	114781133
Reduced:	ClNSO2C12H20 (1)
Stoich.:	ABCD2E12F20 (1)
Weight, g/mol:	313.155705
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	0.8
IP(EA), eV:	-8.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-diethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CCl)C(=O)C2CCCS2)C

DOS

IR

Vibrations