Geometry & MOs

Info

ID:	308308
PubChem CID:	125326071
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	265.98032
ΔH_f, kcal/mol:	32.2
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-4H-triazole-5-carboxamide

Drug info:

PubChemData

Smile

COCCN1C[C@H](C2=CC=CC=C21)C(=O)NC3=NNN=N3

DOS

IR

Vibrations