Geometry & MOs

Info

ID:	199253
PubChem CID:	79223483
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	300.05473
ΔH_f, kcal/mol:	74.44
Dipole, Da:	2.74
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-6-methylheptyl)sulfanylbenzene

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC3=CC=CC=C3N2)C)C(C)CNC

DOS

IR

Vibrations