Geometry & MOs

Info

ID:	302528
PubChem CID:	124384970
Reduced:	BrN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	302.01671
ΔH_f, kcal/mol:	113.34
Dipole, Da:	3.22
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R)-3-(4-bromophenyl)-4,5-dihydrotriazol-4-yl]pyridine

Drug info:

PubChemData

Smile

C1[C@@H](N(N=N1)C2=CC=C(C=C2)Br)C3=CC=NC=C3

DOS

IR

Vibrations