Geometry & MOs

Info

ID:	302569
PubChem CID:	124385109
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	4.33
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(4-hydroxyphenyl)-9-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)NC2=CC=CC=N2)Cl)C(=O)O

DOS

IR

Vibrations