Geometry & MOs

Info

ID:	302171
PubChem CID:	124360308
Reduced:	ClO2N4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	2.08
Dipole, Da:	4.11
IP(EA), eV:	-9.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2R)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations