Geometry & MOs

Info

ID:	78413
PubChem CID:	49689491
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	362.122634
ΔH_f, kcal/mol:	-66.81
Dipole, Da:	7.56
IP(EA), eV:	-9.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)C(=O)C3=NOC(=C3)C

DOS

IR

Vibrations