Geometry & MOs

Info

ID:	436416
PubChem CID:	135200652
Reduced:	O3N4C9H18 (1)
Stoich.:	A3B4C9D18 (1)
Weight, g/mol:	405.161246
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	0.97
IP(EA), eV:	-9.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[5-fluoro-6-[3-(methoxymethyl)azetidin-1-yl]pyridin-3-yl]phenyl]methyl N-(diaminomethylidene)carbamate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1(C)N(C(N(C)C)O)O)C

DOS

IR

Vibrations