Geometry & MOs

Info

ID:	279007
PubChem CID:	103840446
Reduced:	OSCl2N2C11H14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	5.59
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)C2=C(SC(=C2)Cl)Cl)CN

DOS

IR

Vibrations