Geometry & MOs

Info

ID:	151698
PubChem CID:	56269573
Reduced:	OS2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	441.178788
ΔH_f, kcal/mol:	78.26
Dipole, Da:	6.2
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)N=C(S4)N(C)C

DOS

IR

Vibrations