Geometry & MOs

Info

ID:	38115
PubChem CID:	8027147
Reduced:	BrNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	184.121178
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	5.53
IP(EA), eV:	-9.45(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-diethoxyethyl)imidazole

Drug info:

PubChemData

Smile

COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Br

DOS

IR

Vibrations