Geometry & MOs

Info

ID:	415902
PubChem CID:	135088904
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	1.16
Dipole, Da:	4.5
IP(EA), eV:	-8.42(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-5-hydroxy-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=NC(=NC(=C3)C)N4CCCC4

DOS

IR

Vibrations