Geometry & MOs

Info

ID:	209
PubChem CID:	2316
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-118.41
Dipole, Da:	1.02
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate

Drug info:

PubChemData

Smile

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations