Geometry & MOs

Info

ID:	369235
PubChem CID:	127331552
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	6.64
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations