Geometry & MOs

Info

ID:	306957
PubChem CID:	125264431
Reduced:	N3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	81.07
Dipole, Da:	4.99
IP(EA), eV:	-8.54(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,7aR)-N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine

Drug info:

PubChemData

Smile

CN1[C@@H]2CCN(C[C@@H]2C[C@H]1CN3C=NC=N3)C4=CC=CC=N4

DOS

IR

Vibrations