Geometry & MOs

Info

ID:	275704
PubChem CID:	103817175
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	211.095691
ΔH_f, kcal/mol:	9.36
Dipole, Da:	8.12
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1-methylimidazole-4-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)C2=CN(C=N2)C

DOS

IR

Vibrations