Geometry & MOs

Info

ID:	353168
PubChem CID:	127284348
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	-145.54
Dipole, Da:	4.16
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NC3CC(=O)N(C3)C

DOS

IR

Vibrations