Geometry & MOs

Info

ID:	36737
PubChem CID:	8012028
Reduced:	NO6H19C24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-151.67
Dipole, Da:	7.53
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations