Geometry & MOs

Info

ID:	186850
PubChem CID:	77493797
Reduced:	N2O4C7H9 (2)
Stoich.:	A2B4C7D9 (2)
Weight, g/mol:	548.302351
ΔH_f, kcal/mol:	-297.44
Dipole, Da:	3.23
IP(EA), eV:	-10.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2-aminopyrrol-3-ylidene)-(methylamino)methyl]-1-(2-hydroxyethyl)piperazin-2-yl]phenyl]-3-(2-fluoro-6-pyrrolidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

CC(=O)C(C1C(C(C(O1)N2C=NC(=NC2=O)N)O)O)(C(=O)C)OC(=O)C

DOS

IR

Vibrations