Geometry & MOs

Info

ID:	130573
PubChem CID:	51091321
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	332.100836
ΔH_f, kcal/mol:	15.3
Dipole, Da:	4.75
IP(EA), eV:	-10.45(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-3-ylmethyl 2-morpholin-4-yl-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1CC1COC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

DOS

IR

Vibrations