Geometry & MOs

Info

ID:	361596
PubChem CID:	127303862
Reduced:	ON7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	101.03
Dipole, Da:	4.88
IP(EA), eV:	-9.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=NN=C3)C4=NN=CN4C5CC5

DOS

IR

Vibrations