Geometry & MOs

Info

ID:	83628
PubChem CID:	49859307
Reduced:	OF3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-167.23
Dipole, Da:	3.38
IP(EA), eV:	-9.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-ethyl-6-methyl-4-(2-phenylethyl)-2-(2-pyridin-3-ylethylamino)-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C(C=CC1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations