Geometry & MOs

Info

ID:	345664
PubChem CID:	127269964
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	7.05
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-(2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CCCN2C(=O)C3=CC=CC(=C3)CN4CCS(=O)(=O)CC4

DOS

IR

Vibrations