Geometry & MOs

Info

ID:	69019
PubChem CID:	46515644
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	1.65
IP(EA), eV:	-9.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CO3

DOS

IR

Vibrations