Geometry & MOs

Info

ID:	427703
PubChem CID:	135161469
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-163.63
Dipole, Da:	4.96
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-(dimethylamino)phenyl]-2-methyl-1-oxopropan-2-yl]oxybutan-2-yl 4-(dimethylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCC3=C(C2=O)C(=C(C=C3O)O)Cl)C

DOS

IR

Vibrations