Geometry & MOs

Info

ID:	374756
PubChem CID:	131342635
Reduced:	BrN2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	60.29
Dipole, Da:	3.43
IP(EA), eV:	-9.64(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(3-chloronaphthalen-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

C=CC[C@H](C1=NC2=C(C=CC(=C2)Br)C=C1)N

DOS

IR

Vibrations