Geometry & MOs

Info

ID:	342307
PubChem CID:	127265084
Reduced:	ClON5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	14.93
Dipole, Da:	3.53
IP(EA), eV:	-9.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[4-[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(=O)NC(C)C2=NC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations