Geometry & MOs

Info

ID:	354172
PubChem CID:	127286113
Reduced:	FO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	3.54
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)NC2=CC=C(C=C2)F)C(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations