Geometry & MOs

Info

ID:	299509
PubChem CID:	117687121
Reduced:	ON6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	496.250812
ΔH_f, kcal/mol:	94.22
Dipole, Da:	6.34
IP(EA), eV:	-8.93(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(2-methoxyethyl)piperazin-1-yl]-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3N=NN=N3

DOS

IR

Vibrations