Geometry & MOs

Info

ID:	416858
PubChem CID:	135090604
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	330.18559
ΔH_f, kcal/mol:	-118.18
Dipole, Da:	5.76
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4)OC

DOS

IR

Vibrations