Geometry & MOs

Info

ID:	307049
PubChem CID:	125264796
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-88.64
Dipole, Da:	5.4
IP(EA), eV:	-8.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5S,7aR)-5-(pyridin-3-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CC[C@H]3[C@@H]2CC[C@@H](O3)COCC(=O)N(C)C

DOS

IR

Vibrations