Geometry & MOs

Info

ID:	233211
PubChem CID:	89449294
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-182.59
Dipole, Da:	2.42
IP(EA), eV:	-9.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[C-(4-acetyloxyphenyl)-N-(3-methylanilino)carbonimidoyl]phenyl] acetate

Drug info:

PubChemData

Smile

COC(=O)CC1=CC=C(C=C1)C2CCN(CC2)C(=O)CCNC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations