Geometry & MOs

Info

ID:	355719
PubChem CID:	127289792
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	7.7
IP(EA), eV:	-9.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations