Geometry & MOs

Info

ID:	153738
PubChem CID:	56313049
Reduced:	BrO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	476.05964
ΔH_f, kcal/mol:	7.79
Dipole, Da:	6.46
IP(EA), eV:	-8.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations