Geometry & MOs

Info

ID:	273695
PubChem CID:	103771779
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	6.7
IP(EA), eV:	-9.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-nitro-N-[1-(oxan-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC(=O)C2=CNN=C2

DOS

IR

Vibrations