Geometry & MOs

Info

ID:	80100
PubChem CID:	49832955
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	3.5
IP(EA), eV:	-8.69(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@@H]1[C@@H](C2=C(CCN1CCCCC3=CC=CC=C3)C=C(C=C2)OC)O

DOS

IR

Vibrations