Geometry & MOs

Info

ID:	269795
PubChem CID:	103619050
Reduced:	NOC8H19 (1)
Stoich.:	ABC8D19 (1)
Weight, g/mol:	281.11757
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	2.92
IP(EA), eV:	-9.19(2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-fluoro-3-nitrophenyl)-(azepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)OCC(C)CN

DOS

IR

Vibrations