Geometry & MOs

Info

ID:	387104
PubChem CID:	134984007
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	377.132196
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	4.14
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4-triacetyloxy-7-nitroheptyl) acetate

Drug info:

PubChemData

Smile

CC(C)CC1C(C(C1(C)C)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations