Geometry & MOs

Info

ID:	347911
PubChem CID:	127272973
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-1.44
Dipole, Da:	2.92
IP(EA), eV:	-8.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(N1C(C)C(=O)N2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4)C

DOS

IR

Vibrations