Geometry & MOs

Info

ID:	409300
PubChem CID:	135082080
Reduced:	O4N5C14H21 (1)
Stoich.:	A4B5C14D21 (1)
Weight, g/mol:	307.128054
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	7.15
IP(EA), eV:	-10.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-[(2S)-1-azido-3-methylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations