Geometry & MOs

Info

ID:	218639
PubChem CID:	85089739
Reduced:	O5C30H48 (1)
Stoich.:	A5B30C48 (1)
Weight, g/mol:	488.361408
ΔH_f, kcal/mol:	-282.06
Dipole, Da:	5.9
IP(EA), eV:	-9.19(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyloxy-C-methylcarbonimidoyl)-4-[(dioctylamino)methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1(CC2C3=CCC4C(C3(CCC2(C(=O)C1)C)C)(CCC(C4(C)CCC(=O)O)C(C)(CO)O)C)C

DOS

IR

Vibrations