Geometry & MOs

Info

ID:	425285
PubChem CID:	135125812
Reduced:	BrFON4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	0.6
Dipole, Da:	2.75
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)C(=O)NC3CN(C3)C4=NC=CC(=C4F)Br)C

DOS

IR

Vibrations