Geometry & MOs

Info

ID:	375012
PubChem CID:	131465183
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	235.093247
ΔH_f, kcal/mol:	33.89
Dipole, Da:	2.77
IP(EA), eV:	-8.67(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S)-1-amino-2-methylpropyl]-2-(trifluoromethyl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=CC(=C1)C(CC2=CC=CC=C2Cl)N

DOS

IR

Vibrations