Geometry & MOs

Info

ID:	361575
PubChem CID:	127303839
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	-9.52
Dipole, Da:	6.88
IP(EA), eV:	-9.6(-0.52)
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]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CN3CCCC3=O)C4=NN=CN4C5CC5

DOS

IR

Vibrations