Geometry & MOs

Info

ID:	149297
PubChem CID:	53788969
Reduced:	NO3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	2.8
IP(EA), eV:	-8.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-oxo-3-(propylamino)prop-1-enyl]phenyl] 4-(diaminomethylideneamino)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CCN2CCC(=CC2)C3=CC=C(C=C3)OC4=CC=CC=C4)O

DOS

IR

Vibrations