Geometry & MOs

Info

ID:	80101
PubChem CID:	49832962
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-107.15
Dipole, Da:	3.7
IP(EA), eV:	-9.15(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepine-4,5,8-triol

Drug info:

PubChemData

Smile

C1CN([C@@H]([C@@H](C2=C1C=C(C=C2)O)O)O)CCCCC3=CC=CC=C3

DOS

IR

Vibrations