Geometry & MOs

Info

ID:	438747
PubChem CID:	135228500
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	10.3
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-5-ethyl-2-(3-methylbutyl)phenyl]-4-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C(=O)/C=C\1/C2=C(CC(N1)C(C)(C)C)C=C(C(=C2)C)/C(=C/C=N)/N(C)C)/C(=O)O

DOS

IR

Vibrations