Geometry & MOs

Info

ID:	294965
PubChem CID:	117509709
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-92.12
Dipole, Da:	7.3
IP(EA), eV:	-8.83(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC(=C2)C(CCC(=O)O)N)Br

DOS

IR

Vibrations