Geometry & MOs

Info

ID:	225071
PubChem CID:	85736430
Reduced:	NOH5C9 (4)
Stoich.:	ABC5D9 (4)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	35.46
Dipole, Da:	1.85
IP(EA), eV:	-9.25(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-amino-3-(N-ethylanilino)propylidene]amino] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC(=C6)C7=NC8=CC=CC=C8N=C7

DOS

IR

Vibrations