Geometry & MOs

Info

ID:	79184
PubChem CID:	49747290
Reduced:	N3O5C30H37 (1)
Stoich.:	A3B5C30D37 (1)
Weight, g/mol:	519.273321
ΔH_f, kcal/mol:	-121.95
Dipole, Da:	5.19
IP(EA), eV:	-8.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NCC(C3=CC=CO3)N4CCN(CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations