Geometry & MOs

Info

ID:	280019
PubChem CID:	103846377
Reduced:	NSO2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	317.04153
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	2.04
IP(EA), eV:	-8.65(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC1C(CCO1)S(=O)CCCC(C)(C)C#N

DOS

IR

Vibrations