Geometry & MOs

Info

ID:	309418
PubChem CID:	126546124
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	31.9
Dipole, Da:	5.25
IP(EA), eV:	-8.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,4-diazacyclohepta-2,3,5,7-tetraene-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C2C3C(=C4C=CC=CC4=N3)NO

DOS

IR

Vibrations