Geometry & MOs

Info

ID:	48161
PubChem CID:	10537599
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	2.35
IP(EA), eV:	-9.13(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(diaminomethylidene)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2C

DOS

IR

Vibrations