Geometry & MOs

Info

ID:	447117
PubChem CID:	135280418
Reduced:	ClF2O2N3H14C19 (1)
Stoich.:	AB2C2D3E14F19 (1)
Weight, g/mol:	400.164774
ΔH_f, kcal/mol:	-73.67
Dipole, Da:	4.49
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CC(C1)N2C=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F

DOS

IR

Vibrations