Geometry & MOs

Info

ID:	409154
PubChem CID:	135081933
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	251.065454
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	7.49
IP(EA), eV:	-10.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) N-(2-azidoethyl)carbamate

Drug info:

PubChemData

Smile

C.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NCCN=[N+]=[N-]

DOS

IR

Vibrations