Geometry & MOs

Info

ID:	342010
PubChem CID:	127264703
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	2.91
Dipole, Da:	5.42
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethylanilino)-2-oxoethyl] 3-[(2E)-2-(4-acetyl-3,5-dimethylpyrrol-2-ylidene)hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CNCCCN3CCCC3

DOS

IR

Vibrations