Geometry & MOs

Info

ID:	361660
PubChem CID:	127303992
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	43.05
Dipole, Da:	6.16
IP(EA), eV:	-9.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)CCC4=NC=CS4

DOS

IR

Vibrations