Geometry & MOs

Info

ID:	355712
PubChem CID:	127289785
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	7.73
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.52)
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)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations