Geometry & MOs

Info

ID:	369781
PubChem CID:	127335269
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	7.32
IP(EA), eV:	-8.45(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CCCOC3

DOS

IR

Vibrations