Geometry & MOs

Info

ID:	305400
PubChem CID:	124807111
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	3.8
IP(EA), eV:	-8.53(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-2-propan-2-yl-5-pyrimidin-5-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

Drug info:

PubChemData

Smile

CN1CC(=O)N(C[C@]12CCN(C2)C(=O)[C@@H]3CCCO3)C4=CN(N=C4)C

DOS

IR

Vibrations