Geometry & MOs

Info

ID:	372149
PubChem CID:	131293845
Reduced:	BrNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	215.092184
ΔH_f, kcal/mol:	-70.62
Dipole, Da:	5.74
IP(EA), eV:	-8.93(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-5-(difluoromethyl)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC(=C(C(=C1)Br)O)OC)N

DOS

IR

Vibrations