Geometry & MOs

Info

ID:	421393
PubChem CID:	135115910
Reduced:	FON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	4.66
IP(EA), eV:	-8.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations