Geometry & MOs

Info

ID:	417009
PubChem CID:	135091085
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	6.77
IP(EA), eV:	-8.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)N2CCC(CC2)COC3=CC=C(C=C3)OC

DOS

IR

Vibrations