Geometry & MOs

Info

ID:	425505
PubChem CID:	135126563
Reduced:	FON5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	398.155432
ΔH_f, kcal/mol:	19.43
Dipole, Da:	4.45
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(difluoromethoxy)pyridin-4-yl]azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=NC=C(C=C4)F)C

DOS

IR

Vibrations