Geometry & MOs

Info

ID:	299457
PubChem CID:	117683002
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-12.46
Dipole, Da:	1.71
IP(EA), eV:	-8.83(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=NN=CC=C3)O

DOS

IR

Vibrations