Geometry & MOs

Info

ID:	340501
PubChem CID:	127262512
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-54.69
Dipole, Da:	5.56
IP(EA), eV:	-9.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 1H-imidazole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C=O)OC(=O)C2=NC=CN2

DOS

IR

Vibrations