Geometry & MOs

Info

ID:	415070
PubChem CID:	135088056
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	4.92
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[[5-(4-ethoxyphenyl)furan-2-yl]methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(N=C1)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations