Geometry & MOs

Info

ID:	302184
PubChem CID:	124360321
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-107.05
Dipole, Da:	4.48
IP(EA), eV:	-9.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)NC1CCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations