Geometry & MOs

Info

ID:	410607
PubChem CID:	135083407
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	420.102961
ΔH_f, kcal/mol:	27.15
Dipole, Da:	5.42
IP(EA), eV:	-9.91(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-N,2-dinitroanilino)ethyl]-N-(4-methyl-2-nitrophenyl)nitramide

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations