Geometry & MOs

Info

ID:	414874
PubChem CID:	135087846
Reduced:	FN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	376.222289
ΔH_f, kcal/mol:	-206.56
Dipole, Da:	8.34
IP(EA), eV:	-8.86(-0.55)
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-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations