Geometry & MOs

Info

ID:	406486
PubChem CID:	135077806
Reduced:	BrC20H21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	50.12
Dipole, Da:	2.14
IP(EA), eV:	-9.04(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

CC/C(=C(\CC)/Br)/C(=C/C1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations