Geometry & MOs

Info

ID:	79458
PubChem CID:	49754941
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	1.28
Dipole, Da:	4.34
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)NCC3CCN(CC3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations