Geometry & MOs

Info

ID:	299159
PubChem CID:	117673582
Reduced:	FNC6H12 (1)
Stoich.:	ABC6D12 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	0.16
IP(EA), eV:	-9.11(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-1-[2-[(3R,6R)-6-methyl-1-[1-[2-(triazol-2-yl)phenyl]ethenyl]piperidin-3-yl]oxypyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

CCC1(CN(C1)C)F

DOS

IR

Vibrations