Geometry & MOs

Info

ID:	184137
PubChem CID:	77116559
Reduced:	ON4C27H30 (1)
Stoich.:	AB4C27D30 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	15.07
Dipole, Da:	3.56
IP(EA), eV:	-8.39(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylpiperidin-1-yl)-5-(2-hydroxynaphthalen-1-yl)-4,7-dioxo-1,2,3,4a,5,6,8,8a-octahydropyrido[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2NC3C(C(CCN3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)N2)C

DOS

IR

Vibrations