Geometry & MOs

Info

ID:	156713
PubChem CID:	56371855
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	463.250478
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	5.01
IP(EA), eV:	-7.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC(C)CC(=O)NC3=CC(=CC=C3)N4CCCC4

DOS

IR

Vibrations