Geometry & MOs

Info

ID:	306095
PubChem CID:	125001634
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	6.71
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-methoxybutyl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CN3CCC[C@]4(CC3)CC5=C(N=C(N=C5O4)N)N)C(=O)O

DOS

IR

Vibrations