Geometry & MOs

Info

ID:	234745
PubChem CID:	92303424
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	419.17461
ΔH_f, kcal/mol:	19.78
Dipole, Da:	5.07
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2-[(E)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)/C(=C\C4=C(C=C(C=C4C)C)C)/C#N

DOS

IR

Vibrations