Geometry & MOs

Info

ID:	54792
PubChem CID:	17389284
Reduced:	FNO4H18C23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	6.2
IP(EA), eV:	-7.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-6-amino-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Drug info:

PubChemData

Smile

C1C2[C@H]3[C@H]([C@@H]4C5=CC=CC=C5C=CN4[C@H]3C(=O)C6=CC=C(C=C6)F)C(=O)C(O1)O2

DOS

IR

Vibrations