Geometry & MOs

Info

ID:	347909
PubChem CID:	127272971
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	4.68
IP(EA), eV:	-9.52(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)C2CC3CCCC(C2)C3=O

DOS

IR

Vibrations