Geometry & MOs

Info

ID:	69909
PubChem CID:	47205738
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	11.81
Dipole, Da:	2.92
IP(EA), eV:	-9.52(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-(2-imidazol-1-ylethylamino)-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CN1C=CN=C1)NC(=O)C2=C[N+](=CC=C2)[O-]

DOS

IR

Vibrations