Geometry & MOs

Info

ID:	369165
PubChem CID:	127331466
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	323.184506
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	3.91
IP(EA), eV:	-9.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCC3CCCOC3C(C)(C)C)C

DOS

IR

Vibrations