Geometry & MOs

Info

ID:	244211
PubChem CID:	99319403
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	404.150285
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	4.55
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2CCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4CC(C)C

DOS

IR

Vibrations