Geometry & MOs

Info

ID:	305964
PubChem CID:	124976218
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-6.22
Dipole, Da:	4.61
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[[2-[(2R)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@@H]2CN(CCO2)C(=O)C3=NC=NC=C3)N(C)C

DOS

IR

Vibrations