Geometry & MOs

Info

ID:	73712
PubChem CID:	48420072
Reduced:	ClN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	5.73
IP(EA), eV:	-8.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-7-yl 2-(methoxycarbonylamino)-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)C(=O)NC2=CN=C(C=C2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations