Geometry & MOs

Info

ID:	18685
PubChem CID:	546370
Reduced:	N2O3C6H9 (2)
Stoich.:	A2B3C6D9 (2)
Weight, g/mol:	314.122634
ΔH_f, kcal/mol:	-174.81
Dipole, Da:	6.61
IP(EA), eV:	-10.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitro-1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=C(N=CN1)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations