Geometry & MOs

Info

ID:	280032
PubChem CID:	103846480
Reduced:	BrNSC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	322.10446
ΔH_f, kcal/mol:	4.86
Dipole, Da:	0.67
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations