Geometry & MOs

Info

ID:	364238
PubChem CID:	127314542
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	4.05
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC4=CN=CN=C4C3)O)C

DOS

IR

Vibrations