Geometry & MOs

Info

ID:	190479
PubChem CID:	78010569
Reduced:	N4O7C26H38 (1)
Stoich.:	A4B7C26D38 (1)
Weight, g/mol:	391.194757
ΔH_f, kcal/mol:	-272.17
Dipole, Da:	6.23
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(3-fluorophenyl)pyridin-2-yl]methylidene]-3-methyl-3,3a,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][2]benzofuran-1-one

Drug info:

PubChemData

Smile

CCCCN(CCN)C(=O)CN1CC(C(C1CN2CCCC2=O)C(=O)O)C3=CC(=C4C(=C3)OCO4)CO

DOS

IR

Vibrations