Geometry & MOs

Info

ID:	29260
PubChem CID:	832656
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	3.93
Dipole, Da:	5.43
IP(EA), eV:	-8.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetylphenyl) (1S,6S)-bicyclo[4.1.0]heptane-7-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations