Geometry & MOs

Info

ID:	340851
PubChem CID:	127263286
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	7.54
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl isoquinoline-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC(=C(C=C1)NC=NC)C#N

DOS

IR

Vibrations