Geometry & MOs

Info

ID:	355711
PubChem CID:	127289784
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	3.55
IP(EA), eV:	-8.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OC3(O2)CCCCC3)N4CCC5=CN=CN=C5C4

DOS

IR

Vibrations