Geometry & MOs

Info

ID:	369776
PubChem CID:	127335260
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	-61.31
Dipole, Da:	0.92
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)NC3CCCN(C3)C4=NN=C(C=C4)C

DOS

IR

Vibrations