Geometry & MOs

Info

ID:	172047
PubChem CID:	75459072
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	466.171316
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	3.02
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1C/C(=C/C2=CC=CC=C2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

DOS

IR

Vibrations