Geometry & MOs

Info

ID:	151449
PubChem CID:	53812300
Reduced:	N2F3O5C24H27 (1)
Stoich.:	A2B3C5D24E27 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-322.81
Dipole, Da:	2.41
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxy-3,6,6-trimethyl-4-oxocyclohepten-1-yl) benzoate

Drug info:

PubChemData

Smile

CCOC(=O)N(CC1=CC=CC=C1)C2CC(N(C3=CC(=C(C=C23)OC)OC)C(=O)C(F)(F)F)C

DOS

IR

Vibrations