Geometry & MOs

Info

ID:	73637
PubChem CID:	48419564
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	22.67
Dipole, Da:	5.0
IP(EA), eV:	-8.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-methoxy-N-[2-(methylamino)-2-oxoethyl]isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)NCC3=C(N=CC=C3)N(C)C

DOS

IR

Vibrations