Geometry & MOs

Info

ID:	302577
PubChem CID:	124385159
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	2.55
IP(EA), eV:	-8.51(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-hydroxyphenyl)-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Drug info:

PubChemData

Smile

CC1=C2[C@@H](CNCCC2=CC(=C1O)O)C3=CC=C(C=C3)O

DOS

IR

Vibrations