Geometry & MOs

Info

ID:	426501
PubChem CID:	135144449
Reduced:	SN5C28H33 (1)
Stoich.:	AB5C28D33 (1)
Weight, g/mol:	421.225308
ΔH_f, kcal/mol:	101.67
Dipole, Da:	9.74
IP(EA), eV:	-8.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(phenylmethoxy)phenoxy]-3-(propan-2-ylamino)propan-1-ol

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC(=C(C=C2)C#N)CN(CC)C3=CC=C(C=C3)SC4=CC=CC=C4

DOS

IR

Vibrations