Geometry & MOs

Info

ID:	82641
PubChem CID:	49856275
Reduced:	NI3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	3.01
IP(EA), eV:	-9.0(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2,2-dimethylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC(C)NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

DOS

IR

Vibrations