Geometry & MOs

Info

ID:	59084
PubChem CID:	24770843
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	337.127385
ΔH_f, kcal/mol:	-41.64
Dipole, Da:	2.2
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-[3-(hydroxymethyl)-6-methyl-3,6-dihydrooxazin-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1[C@H]2C=CC=C[C@@H]1ON2C3=C(C=C(C=C3)C(=O)NCCO)[N+](=O)[O-]

DOS

IR

Vibrations