Geometry & MOs

Info

ID:	142319
PubChem CID:	53016763
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	4.56
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(C2=CC=CC=C2O1)C(=O)C3CCOC3

DOS

IR

Vibrations