Geometry & MOs

Info

ID:	355710
PubChem CID:	127289783
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	4.29
IP(EA), eV:	-8.19(-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-ylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2CCCC2=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations