Geometry & MOs

Info

ID:	85725
PubChem CID:	49878508
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	5.73
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-morpholin-4-ylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN3CCC(=O)N(C3=C2)CC(=O)O

DOS

IR

Vibrations