Geometry & MOs

Info

ID:	433491
PubChem CID:	135173628
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	3.13
IP(EA), eV:	-8.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[[4-[3-(3-propan-2-yloxyprop-1-ynyl)phenyl]piperazin-1-yl]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCCCC#CC1=CN=C(C=C1)OCCCOC

DOS

IR

Vibrations