Geometry & MOs

Info

ID:	422055
PubChem CID:	135117101
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	5.78
IP(EA), eV:	-9.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=CC=C3C)O

DOS

IR

Vibrations