Geometry & MOs

Info

ID:	420423
PubChem CID:	135113056
Reduced:	ClN2O5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-227.45
Dipole, Da:	4.25
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC)OC[C@@H]1O)O

DOS

IR

Vibrations