Geometry & MOs

Info

ID:	369168
PubChem CID:	127331469
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	6.04
IP(EA), eV:	-9.49(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CCN2C=CN=C2

DOS

IR

Vibrations