Geometry & MOs

Info

ID:	409103
PubChem CID:	135081879
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	524.088768
ΔH_f, kcal/mol:	2.98
Dipole, Da:	6.14
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-2,6-dinitrophenyl)-N-[3-(4-methyl-N,2,6-trinitroanilino)propyl]nitramide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=C2)N=[N+](O)[O-])C)C

DOS

IR

Vibrations