Geometry & MOs

Info

ID:	355717
PubChem CID:	127289790
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	33.66
Dipole, Da:	4.38
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations