Geometry & MOs

Info

ID:	221518
PubChem CID:	85273808
Reduced:	N2O5C15H24 (1)
Stoich.:	A2B5C15D24 (1)
Weight, g/mol:	312.152558
ΔH_f, kcal/mol:	-226.11
Dipole, Da:	2.78
IP(EA), eV:	-9.53(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-fluorophenyl)-phenylmethylidene]hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN1CC=CCN(CC1=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations