Geometry & MOs

Info

ID:	280029
PubChem CID:	103846471
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	325.04998
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	1.86
IP(EA), eV:	-9.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CNC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations