Geometry & MOs

Info

ID:	314846
PubChem CID:	126623683
Reduced:	ClF2O2N3H24C30 (1)
Stoich.:	AB2C2D3E24F30 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	3.01
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[3-acetyl-5-(1H-benzimidazol-2-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)N(CC1=C(C(=CC=C1)Cl)F)C(=O)C2(CC(CN2N3C=CC4=CC=CC=C43)F)C#CC5=CC=CC=C5

DOS

IR

Vibrations