Geometry & MOs

Info

ID:	266834
PubChem CID:	103579718
Reduced:	BrN4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	333.03981
ΔH_f, kcal/mol:	75.64
Dipole, Da:	2.14
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-ethylsulfonylpropyl)-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=CN3C(=CC(=N3)C)N=C2

DOS

IR

Vibrations