Geometry & MOs

Info

ID:	312036
PubChem CID:	126602128
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	2.42
IP(EA), eV:	-8.36(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCCN1C2=CC=CC=C2C3=C(N=CS3)C)C(=O)N

DOS

IR

Vibrations