Geometry & MOs

Info

ID:	345789
PubChem CID:	127270089
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	35.94
Dipole, Da:	5.28
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[2-(1H-imidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CSC=C2)C(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations