Geometry & MOs

Info

ID:	302185
PubChem CID:	124360322
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	4.79
IP(EA), eV:	-8.21(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)[C@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations