Geometry & MOs

Info

ID:	284476
PubChem CID:	104049445
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	6.81
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C(=O)CN(C)C1=CC=CC=C1C#N

DOS

IR

Vibrations