Geometry & MOs

Info

ID:	391068
PubChem CID:	135002592
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	402.113506
ΔH_f, kcal/mol:	-95.15
Dipole, Da:	3.26
IP(EA), eV:	-9.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (1S)-1-benzyl-7-chloro-1-cyano-3,4-dihydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@](CC1=CC=CC=C1)(C#N)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations