Geometry & MOs

Info

ID:	417021
PubChem CID:	135091101
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	4.27
IP(EA), eV:	-8.37(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C=CC=C2C(=O)N3CCC4(CC3)C5=C(CCO4)C6=CC=CC=C6N5

DOS

IR

Vibrations