Geometry & MOs

Info

ID:	349205
PubChem CID:	127274931
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	7.21
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methyl-1,4-oxazepane-4-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CNN3C2=NC(=O)C4=CC=CC=C43

DOS

IR

Vibrations