Geometry & MOs

Info

ID:	200776
PubChem CID:	79443069
Reduced:	BrN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	294.04801
ΔH_f, kcal/mol:	45.29
Dipole, Da:	1.59
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC(CN)C2=CC(=CC=C2)Br)C

DOS

IR

Vibrations