Geometry & MOs

Info

ID:

299456

PubChem CID:

117682998

Reduced:

N3H19C30 (2)

Stoich.:

A3B19C30 (2)

Weight, g/mol:

312.158626

ΔHf, kcal/mol:

322.04

Dipole, Da:

1.77

IP(EA), eV:

 -8.05(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C(N=C2C3=CC=CC=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N=C8C9=CC=CC=C9C1=C(C8=N7)C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations