Geometry & MOs

Info

ID:	78411
PubChem CID:	49689487
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-117.73
Dipole, Da:	6.78
IP(EA), eV:	-9.31(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NCC1CCN(CC1)C(=O)C2=NOC(=C2)C

DOS

IR

Vibrations