Geometry & MOs

Info

ID:	416960
PubChem CID:	135090911
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	6.17
IP(EA), eV:	-8.91(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC(=NC=C2)NCC3(CCOCC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations