Geometry & MOs

Info

ID:	242777
PubChem CID:	99206247
Reduced:	BrO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	354.144038
ΔH_f, kcal/mol:	10.55
Dipole, Da:	7.03
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(2-methoxyethoxy)pyridin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=NC=CC(=C2)CNC(=O)C3=NNC(=C3Br)C)C

DOS

IR

Vibrations