Geometry & MOs

Info

ID:	302916
PubChem CID:	124403657
Reduced:	N4O7C27H30 (1)
Stoich.:	A4B7C27D30 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-259.19
Dipole, Da:	3.84
IP(EA), eV:	-8.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-1,2,2-trimethyl-3-[(E)-2-phenylethenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)NC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations