Geometry & MOs

Info

ID:	174125
PubChem CID:	75727010
Reduced:	N2O5C29H34 (1)
Stoich.:	A2B5C29D34 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-153.72
Dipole, Da:	6.38
IP(EA), eV:	-9.02(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]oct-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC(=CC=C2)O)C(=O)NC3CCCCC3)C(=O)C(C4=CC=CC=C4)OC

DOS

IR

Vibrations