Geometry & MOs

Info

ID:	409297
PubChem CID:	135082077
Reduced:	O4N5C12H15 (1)
Stoich.:	A4B5C12D15 (1)
Weight, g/mol:	323.159354
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	7.81
IP(EA), eV:	-10.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations