Geometry & MOs

Info

ID:	391633
PubChem CID:	135007404
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	19.49
Dipole, Da:	5.18
IP(EA), eV:	-9.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S,5R)-5-benzoyl-4-(4-methoxyphenyl)cyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](C(C1)(C#N)[N+]#[C-])C2=CC=CC=C2

DOS

IR

Vibrations