Geometry & MOs

Info

ID:	341795
PubChem CID:	127264488
Reduced:	ClFN6C22H24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	192.053492
ΔH_f, kcal/mol:	53.18
Dipole, Da:	4.32
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-1H-benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC2=NN3C(=NC(=C3CC4=C(C=C(C=C4)Cl)F)C)C=C2)C(C)(C)C

DOS

IR

Vibrations