Geometry & MOs

Info

ID:	298852
PubChem CID:	117661750
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	8.2
Dipole, Da:	2.99
IP(EA), eV:	-8.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutyl)-4-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methoxy]-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C(=CC=C2)N3C(=CC=C3C)C)O)C

DOS

IR

Vibrations