Geometry & MOs

Info

ID:	336314
PubChem CID:	127255321
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	451.21951
ΔH_f, kcal/mol:	-124.59
Dipole, Da:	5.31
IP(EA), eV:	-8.58(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]ethanone

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)C2=CC(=O)C(=CN2)OC)C

DOS

IR

Vibrations