Geometry & MOs

Info

ID:	432317
PubChem CID:	135172450
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	5.42
IP(EA), eV:	-8.21(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[3-(propan-2-ylamino)phenoxy]phenyl]methoxy]propan-2-one

Drug info:

PubChemData

Smile

CC1C(CN=C2N(C1CC=C)C3=C(S2)C=C(C=C3)O)NC(=O)NC(C)C

DOS

IR

Vibrations