Geometry & MOs

Info

ID:	413360
PubChem CID:	135086308
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	19.97
Dipole, Da:	3.29
IP(EA), eV:	-8.42(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-hept-1-ynyl-2H-benzimidazole-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)C#CCCN(C)C1=CC=CC=C1

DOS

IR

Vibrations