Geometry & MOs

Info

ID:	355702
PubChem CID:	127289775
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-71.8
Dipole, Da:	7.94
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CCN(CC2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations