Geometry & MOs

Info

ID:	364155
PubChem CID:	127314331
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	18.6
Dipole, Da:	6.2
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations