Geometry & MOs

Info

ID:	859
PubChem CID:	3447
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-153.79
Dipole, Da:	2.23
IP(EA), eV:	-9.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N

DOS

IR

Vibrations