Geometry & MOs

Info

ID:	187034
PubChem CID:	77522515
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	522.309372
ΔH_f, kcal/mol:	-170.11
Dipole, Da:	4.47
IP(EA), eV:	-7.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(2,5-diaminophenyl)methoxy]-3-oxoprop-1-enyl]phenyl] 4-octoxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=CC(=C3)N)N

DOS

IR

Vibrations