Geometry & MOs

Info

ID:	65430
PubChem CID:	29214944
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	5.27
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=CC=C(C=C1)OC[C@H]2CCCO2

DOS

IR

Vibrations