Geometry & MOs

Info

ID:	125984
PubChem CID:	50946666
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	358.191738
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	5.01
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea

Drug info:

PubChemData

Smile

CC1CN2C3=C(N=C2N(C1)N)N(C(=O)NC3=O)C

DOS

IR

Vibrations