Geometry & MOs

Info

ID:	391012
PubChem CID:	135002221
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-185.44
Dipole, Da:	1.85
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(3-pyrrolidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@@H]2CC(=CN([C@@H]2C3=C(N1)C(=CC=C3)O)C)C(=O)OC

DOS

IR

Vibrations