Geometry & MOs

Info

ID:	367596
PubChem CID:	127325085
Reduced:	OSN5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	30.27
Dipole, Da:	5.77
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations