Geometry & MOs

Info

ID:	320229
PubChem CID:	126658825
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	376.181173
ΔH_f, kcal/mol:	-84.7
Dipole, Da:	4.42
IP(EA), eV:	-9.67(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-fluorophenyl)methyl-(methylideneamino)amino]pyridin-3-yl]-5-(2-methylcyclopropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)CON

DOS

IR

Vibrations