Geometry & MOs

Info

ID:	364024
PubChem CID:	127313695
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	-69.56
Dipole, Da:	2.98
IP(EA), eV:	-9.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopropyl-5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NCC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations