Geometry & MOs

Info

ID:	200768
PubChem CID:	79441571
Reduced:	NSBr2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	322.07931
ΔH_f, kcal/mol:	48.3
Dipole, Da:	2.7
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CNCC(CC1=CC(=CS1)Br)C2=CC=C(C=C2)Br

DOS

IR

Vibrations