Geometry & MOs

Info

ID:	160041
PubChem CID:	57304419
Reduced:	N4O5H20C26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	4.73
IP(EA), eV:	-8.42(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)CN3C(=CC=C3O)O)C4C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O

DOS

IR

Vibrations