Geometry & MOs

Info

ID:	280026
PubChem CID:	103846445
Reduced:	BrSN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	27.52
Dipole, Da:	2.49
IP(EA), eV:	-9.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)NC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations