Geometry & MOs

Info

ID:	149350
PubChem CID:	53789022
Reduced:	FO2N4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	10.34
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-(4-methyl-2-phenylheptyl)pyrimidin-5-yl] propanoate

Drug info:

PubChemData

Smile

COC1CCCC(C1F)C2=CN3C(=C4C=NC=CC4=NC3=O)N2

DOS

IR

Vibrations