Geometry & MOs

Info

ID:	306802
PubChem CID:	125240992
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-76.01
Dipole, Da:	3.34
IP(EA), eV:	-8.25(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,7aS)-6-(4-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC[C@@H]3C[C@@H](O[C@H]3C2)C(=O)NCCN4CCCC4

DOS

IR

Vibrations