Geometry & MOs

Info

ID:	361653
PubChem CID:	127303985
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	0.91
Dipole, Da:	6.24
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=CC=CC(=C4)CN5CCOCC5

DOS

IR

Vibrations