Geometry & MOs

Info

ID:	422947
PubChem CID:	135118666
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	5.86
IP(EA), eV:	-9.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CNC(=O)C(=C3)Cl)O

DOS

IR

Vibrations