Geometry & MOs

Info

ID:	306759
PubChem CID:	125240943
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	5.49
IP(EA), eV:	-8.99(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aS)-N-[2-(dimethylamino)ethyl]-1-methyl-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@]2(CN(C[C@@H]2CN(C1)C(=O)NC3CC3)C4=NC=CC=N4)C(=O)O

DOS

IR

Vibrations