Geometry & MOs

Info

ID:	414053
PubChem CID:	135087007
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-110.24
Dipole, Da:	4.96
IP(EA), eV:	-8.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilinocycloheptan-1-one

Drug info:

PubChemData

Smile

CCC[C@]1([C@H](CC2=C1C=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C)O

DOS

IR

Vibrations