Geometry & MOs

Info

ID:	271970
PubChem CID:	103707445
Reduced:	BrOSN2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	334.03169
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	2.7
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-N-[1-(2-nitrophenyl)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)NCCN2CCSCC2

DOS

IR

Vibrations