Geometry & MOs

Info

ID:	275120
PubChem CID:	103813901
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	350.04907
ΔH_f, kcal/mol:	8.27
Dipole, Da:	8.81
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CN)C(=O)NC2=CN=C(C=C2)Br

DOS

IR

Vibrations