Geometry & MOs

Info

ID:	233412
PubChem CID:	90271429
Reduced:	N6H22C27 (1)
Stoich.:	A6B22C27 (1)
Weight, g/mol:	524.212473
ΔH_f, kcal/mol:	201.6
Dipole, Da:	3.56
IP(EA), eV:	-8.4(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-(4-fluorophenyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=CC4=C(C=C3)NNC4=C5N=C6C=CC=CC6=N5

DOS

IR

Vibrations