Geometry & MOs

Info

ID:	420457
PubChem CID:	135113222
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-147.19
Dipole, Da:	1.47
IP(EA), eV:	-8.41(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)C

DOS

IR

Vibrations