Geometry & MOs

Info

ID:	203490
PubChem CID:	79837496
Reduced:	BrO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	239.03096
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	3.88
IP(EA), eV:	-8.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-amine

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C=CC(=C21)OC)OC)Br)C

DOS

IR

Vibrations