Geometry & MOs

Info

ID:	356908
PubChem CID:	127292516
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	3.93
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(1-phenylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(C)NC(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations