Geometry & MOs

Info

ID:	355498
PubChem CID:	127288561
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	38.27
Dipole, Da:	11.08
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1-methylpyrazol-4-yl)-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)C3=CC4=C(N=C3)ON=C4C

DOS

IR

Vibrations