Geometry & MOs

Info

ID:	268157
PubChem CID:	103598137
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	12.97
Dipole, Da:	3.36
IP(EA), eV:	-8.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-1-[2-(2-phenylethyl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=N3

DOS

IR

Vibrations