Geometry & MOs

Info

ID:	340532
PubChem CID:	127262543
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	-9.32
Dipole, Da:	4.39
IP(EA), eV:	-9.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-4-ylmethyl 1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC(=O)C3=CNC=C3

DOS

IR

Vibrations