Geometry & MOs

Info

ID:	427449
PubChem CID:	135159038
Reduced:	ON5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	64.87
Dipole, Da:	7.11
IP(EA), eV:	-8.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-hydroxy-2-methyl-5-(6-phenylpyridin-3-yl)-3,4-dihydropyrazol-3-yl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN/C(=C\3/NC4=C(N3)C=C(C=C4)CN)/C2=O

DOS

IR

Vibrations