Geometry & MOs

Info

ID:	217092
PubChem CID:	85087233
Reduced:	FN5H18C19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	331.1606
ΔH_f, kcal/mol:	78.67
Dipole, Da:	4.29
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(dimethylamino)ethyl]phenyl]sulfinyl-3-phenylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2C(NNN2)C3=CC(=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations