Geometry & MOs

Info

ID:	430946
PubChem CID:	135171016
Reduced:	ON5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	474.237939
ΔH_f, kcal/mol:	79.17
Dipole, Da:	3.8
IP(EA), eV:	-8.75(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-[(7S)-5,6,7,8-tetrahydroisoquinolin-7-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=C)C(=NC)C=C2)C(=O)C3=NC(=C)C(=C3)NC=C

DOS

IR

Vibrations