Geometry & MOs

Info

ID:	157027
PubChem CID:	56413034
Reduced:	O2F3N3C22H24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	367.19838
ΔH_f, kcal/mol:	-211.47
Dipole, Da:	6.23
IP(EA), eV:	-9.17(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-butyltetrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCC2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations