Geometry & MOs

Info

ID:	38446
PubChem CID:	8068612
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	5.6
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[[(2S)-2-hydroxypropyl]amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3C[C@@H](C[C@@H](C3)C)C

DOS

IR

Vibrations