Geometry & MOs

Info

ID:	427452
PubChem CID:	135159044
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	456.151016
ΔH_f, kcal/mol:	16.14
Dipole, Da:	4.27
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-(3,5-difluorophenyl)phenyl]-2-methyl-4-nitroso-1H-pyrazol-3-ylidene]-6,7-dihydro-5H-pyrrolo[3,4-f]benzimidazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(C2O)C3=NC4=C(N3)C=C5CNCC5=C4)CCOC

DOS

IR

Vibrations