Geometry & MOs

Info

ID:	415896
PubChem CID:	135088898
Reduced:	SN5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	80.86
Dipole, Da:	5.08
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-(7H-purin-6-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CN2CCN(CC2)C3=C4C=CSC4=NC(=N3)C

DOS

IR

Vibrations