Geometry & MOs

Info

ID:	185747
PubChem CID:	77343285
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-190.45
Dipole, Da:	6.56
IP(EA), eV:	-8.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]isoindol-1-yl)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C1)CC(CC(=O)O)C(=O)NC2CC3=CN(CCOCCNC2=O)C4=CC=CC=C34

DOS

IR

Vibrations