Geometry & MOs

Info

ID:	441160
PubChem CID:	135233373
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	400.222289
ΔH_f, kcal/mol:	-157.59
Dipole, Da:	5.72
IP(EA), eV:	-8.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,2-dimethylpropylamino)-6-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridin-2-yl]-N-methylnitrous amide

Drug info:

PubChemData

Smile

CC(C)C(=O)/C(=C(/C=C(/C(C)CC/C=C/NC)\OC=O)\O)/C

DOS

IR

Vibrations