Geometry & MOs

Info

ID:	369790
PubChem CID:	127335282
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	73.51
Dipole, Da:	8.63
IP(EA), eV:	-8.41(-1.56)
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-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations