Geometry & MOs

Info

ID:	435496
PubChem CID:	135191616
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	5.32
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-[2-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1=O)N4CCCC(C4)(C)C

DOS

IR

Vibrations