Geometry & MOs

Info

ID:	141084
PubChem CID:	52816078
Reduced:	ClN2O4C25H34 (1)
Stoich.:	AB2C4D25E34 (1)
Weight, g/mol:	460.212885
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	6.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789679
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCOC1=C(C=CC(=C1)NC(=O)C2(CCOCC2)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations