Geometry & MOs

Info

ID:	155627
PubChem CID:	56366423
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	442.07529
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	2.68
IP(EA), eV:	-9.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-5-methyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=C(C=C1)C(=O)NCCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations