Geometry & MOs

Info

ID:	18692
PubChem CID:	546431
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-65.33
Dipole, Da:	2.5
IP(EA), eV:	-8.88(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(N1)CC#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations