Geometry & MOs

Info

ID:	421273
PubChem CID:	135115677
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	263.107005
ΔH_f, kcal/mol:	4.55
Dipole, Da:	5.13
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=NC=C2)NCCC3=NC4=C(S3)CCC4

DOS

IR

Vibrations