Geometry & MOs

Info

ID:	244687
PubChem CID:	99376403
Reduced:	FO3N5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-36.19
Dipole, Da:	9.07
IP(EA), eV:	-9.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]prop-1-enyl]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCCC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations