Geometry & MOs

Info

ID:	355728
PubChem CID:	127289801
Reduced:	OSN5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	35.05
Dipole, Da:	6.29
IP(EA), eV:	-9.0(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations