Geometry & MOs

Info

ID:	433310
PubChem CID:	135173447
Reduced:	IN2O3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	390.305785
ΔH_f, kcal/mol:	-84.35
Dipole, Da:	4.04
IP(EA), eV:	-8.71(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-difluoro-4,6-dimethyl-7-(3-propan-2-yloxycyclobutyl)oxyheptyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)OCCCOC1=CN=C(C=C1)CCCOC2CN(C2)I

DOS

IR

Vibrations