Geometry & MOs

Info

ID:	416530
PubChem CID:	135089581
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	314.247047
ΔH_f, kcal/mol:	-3.83
Dipole, Da:	5.25
IP(EA), eV:	-10.01(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CN=C(C=C3)C#N

DOS

IR

Vibrations