Geometry & MOs

Info

ID:	418612
PubChem CID:	135106212
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	3.74
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylpropanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)F)NC2=NC=C(C=C2)C(=O)NCC

DOS

IR

Vibrations