Geometry & MOs

Info

ID:	149655
PubChem CID:	53789329
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-185.37
Dipole, Da:	3.93
IP(EA), eV:	-8.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethoxy]-1-(furan-2-ylmethyl)-4-phenylpyrrol-2-ol

Drug info:

PubChemData

Smile

COCC(=O)OCN1CC[C@]23[C@@H]4CC=C[C@H]2[C@H]1CC5=C3C(=C(C=C5)OCOC)O4

DOS

IR

Vibrations