Geometry & MOs

Info

ID:	272628
PubChem CID:	103750381
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-101.93
Dipole, Da:	4.81
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R)-3-hydroxypyrrolidin-1-yl]-7-nitro-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)C2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-]

DOS

IR

Vibrations