Geometry & MOs

Info

ID:	355729
PubChem CID:	127289802
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	2.17
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations