Geometry & MOs

Info

ID:	59083
PubChem CID:	24770817
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	-120.07
Dipole, Da:	2.97
IP(EA), eV:	-8.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-nitro-4-[(1S,6R)-7-oxa-8-azabicyclo[4.2.1]nona-2,4-dien-8-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CN1CC2=C(C=C(C=C2)OC)OC)N

DOS

IR

Vibrations