Geometry & MOs

Info

ID:	309842
PubChem CID:	126562036
Reduced:	FON8H25C29 (1)
Stoich.:	ABC8D25E29 (1)
Weight, g/mol:	387.145516
ΔH_f, kcal/mol:	133.68
Dipole, Da:	7.82
IP(EA), eV:	-8.78(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[2-(3-methoxyiminoazetidin-1-yl)pyrimidin-5-yl]phenyl]methyl N-(diaminomethylidene)carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CN=CC4=N/C(=C\5/C6=C(NN5)N=CC(=C6)C7=NC=CN=C7)/C=C34)F

DOS

IR

Vibrations