Geometry & MOs

Info

ID:	159882
PubChem CID:	57288851
Reduced:	N3O6C21H25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	314.157631
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	5.83
IP(EA), eV:	-9.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=NC(=C(C(C1C2=NCCO2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC)C

DOS

IR

Vibrations