Geometry & MOs

Info

ID:	374470
PubChem CID:	131329823
Reduced:	BrON2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	3.75
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-amino-6-bromo-8-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1NCC(C2=O)CN)Br

DOS

IR

Vibrations