Geometry & MOs

Info

ID:	73641
PubChem CID:	48419576
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	3.69
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-methoxyisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC=CC(=C2)C(=O)NCCNS(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations