Geometry & MOs

Info

ID:	302487
PubChem CID:	124361943
Reduced:	O2N6H24C27 (1)
Stoich.:	A2B6C24D27 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	91.49
Dipole, Da:	0.85
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(8S,8aS)-6-amino-5,7,7-tricyano-2-methyl-1,3,8,8a-tetrahydroisoquinolin-8-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1C=C2[C@@H](CN1CC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)OCC(=O)N

DOS

IR

Vibrations