Geometry & MOs

Info

ID:	22714
PubChem CID:	598401
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	3.82
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-nitro-5-propan-2-yl-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=O)N1)C)[N+](=O)[O-]

DOS

IR

Vibrations