Geometry & MOs

Info

ID:	221879
PubChem CID:	85291860
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-239.83
Dipole, Da:	3.85
IP(EA), eV:	-9.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-anilino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(=O)N(C1O)CC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations