Geometry & MOs

Info

ID:	367588
PubChem CID:	127325077
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	5.52
IP(EA), eV:	-9.03(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4CCO3

DOS

IR

Vibrations