Geometry & MOs

Info

ID:	335685
PubChem CID:	127254547
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	380.171162
ΔH_f, kcal/mol:	55.39
Dipole, Da:	3.39
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=NNN=N2

DOS

IR

Vibrations