Geometry & MOs

Info

ID:	264136
PubChem CID:	103431894
Reduced:	F2O2N4H12C13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	6.72
IP(EA), eV:	-10.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[methoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1[C@H](C)N)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations