Geometry & MOs

Info

ID:	306761
PubChem CID:	125240945
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	13.16
Dipole, Da:	2.24
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,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

CN1[C@@H](C[C@@H]2[C@@H]1CN(C2)C3=NC=CC=N3)C(=O)NCCN(C)C

DOS

IR

Vibrations