Geometry & MOs

Info

ID:	419481
PubChem CID:	135108264
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	346.24811
ΔH_f, kcal/mol:	7.96
Dipole, Da:	11.3
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN=C2CN3CCCC(C3)C4=CC(=O)N=CN4

DOS

IR

Vibrations