Geometry & MOs

Info

ID:	186260
PubChem CID:	77413391
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	433.270735
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	10.32
IP(EA), eV:	-8.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

aminourea;7-(2-octyl-5-oxocyclopentyl)hept-2-enoic acid;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C2CCC(C(=O)N2)CN(CC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations