Geometry & MOs

Info

ID:	432372
PubChem CID:	135172505
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	5.17
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 2-O-methyl 1-methyl-4,5,6,7-tetrahydrobenzimidazole-2,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NC)N(C(=C1)C2CN(CCO2)C(=O)C3=CC=C(C=C3)OC)N=C

DOS

IR

Vibrations