Geometry & MOs

Info

ID:	409295
PubChem CID:	135082075
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	309.143704
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	6.75
IP(EA), eV:	-10.25(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methane;(4-nitrophenyl) N-[(2S)-1-azido-3-methylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C.C[C@@H](CN=[N+]=[N-])NC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations