Geometry & MOs

Info

ID:	232887
PubChem CID:	87577404
Reduced:	P2N5O21C50H71 (1)
Stoich.:	A2B5C21D50E71 (1)
Weight, g/mol:	213.03857
ΔH_f, kcal/mol:	-920.59
Dipole, Da:	7.52
IP(EA), eV:	-8.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methyl-2,3-dinitrophenyl)hydroxylamine

Drug info:

Smile

CC(C)[C@@H](C(=O)OCC(C)(C)NC(=O)OCOP(=O)(C(CCCNC(=O)OCC1=CC=CC=C1)(O)P(=O)(O)O)OCOC(=O)NC(C)(C)COC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations