Geometry & MOs

Info

ID:	7072
PubChem CID:	71162
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	3.49
IP(EA), eV:	-9.22(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Drug info:

PubChemData

Smile

CN[C@H]1C[C@H](C2=CC=CC=C2OC1)O

DOS

IR

Vibrations