Geometry & MOs

Info

ID:	19951
PubChem CID:	575686
Reduced:	ClO2N3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	245.093105
ΔH_f, kcal/mol:	-96.72
Dipole, Da:	5.4
IP(EA), eV:	-9.19(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(4-chloro-1H-imidazol-5-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=C(N=CN1)Cl

DOS

IR

Vibrations