Geometry & MOs

Info

ID:	43721
PubChem CID:	10321696
Reduced:	NOC32H39 (1)
Stoich.:	ABC32D39 (1)
Weight, g/mol:	453.335528
ΔH_f, kcal/mol:	2.81
Dipole, Da:	2.44
IP(EA), eV:	-8.46(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]methanone

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)/C(=C(\CC)/C2=CC=CC=C2)/C3=CC=C(C=C3)OCCN4CCCC4

DOS

IR

Vibrations