Geometry & MOs

Info

ID:	355309
PubChem CID:	127288266
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	2.38
IP(EA), eV:	-9.03(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC(=O)NC3CCOCC3)C

DOS

IR

Vibrations