Geometry & MOs

Info

ID:	307003
PubChem CID:	125264611
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	4.13
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NO1)C(=O)N2CC[C@@H]3[C@@H](C2)C[C@@H](N3CC4CC4)CN(C)C

DOS

IR

Vibrations