Geometry & MOs

Info

ID:	427430
PubChem CID:	135158897
Reduced:	PO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	417.227709
ΔH_f, kcal/mol:	-23.59
Dipole, Da:	6.54
IP(EA), eV:	-7.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-amino-2-(3,5-dimethylpyrazin-2-yl)ethenyl]-7-(2,7-diazaspiro[3.5]nonan-7-yl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(CN(CCN1)C2=CN3C(C=C2)PC(=CC3=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations