Geometry & MOs

Info

ID:	60463
PubChem CID:	26697042
Reduced:	N3O6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	443.205636
ΔH_f, kcal/mol:	-159.48
Dipole, Da:	5.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766085
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)OC

DOS

IR

Vibrations