Geometry & MOs

Info

ID:	36854
PubChem CID:	8013786
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	76.87
Dipole, Da:	4.96
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)/C=N\NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C

DOS

IR

Vibrations