Geometry & MOs

Info

ID:	188888
PubChem CID:	77779466
Reduced:	ClO7C26H33 (1)
Stoich.:	AB7C26D33 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-279.05
Dipole, Da:	9.18
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[amino(isoquinolin-7-yl)methyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2COC(C2CCC=CCCC(=O)O)C=CC(=O)COC3=CC(=CC=C3)Cl

DOS

IR

Vibrations