Geometry & MOs

Info

ID:	417153
PubChem CID:	135091462
Reduced:	NOCl2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	2.15
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations