Geometry & MOs

Info

ID:	187031
PubChem CID:	77522064
Reduced:	N2O4C29H36 (1)
Stoich.:	A2B4C29D36 (1)
Weight, g/mol:	506.314458
ΔH_f, kcal/mol:	-132.53
Dipole, Da:	6.37
IP(EA), eV:	-7.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[2-(2,4-diaminophenyl)-2-methylpropoxy]-3-oxoprop-1-enyl]phenyl] 4-pentylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C=CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C=CC(=O)OCC3=C(C=CC(=C3)N)N

DOS

IR

Vibrations