Geometry & MOs

Info

ID:	364039
PubChem CID:	127313710
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	1.37
Dipole, Da:	2.31
IP(EA), eV:	-9.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCC2=CN=CN=C2C1)N3C=CC=N3

DOS

IR

Vibrations