Geometry & MOs

Info

ID:	361597
PubChem CID:	127303863
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	7.88
IP(EA), eV:	-9.45(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations