Geometry & MOs

Info

ID:	30786
PubChem CID:	841879
Reduced:	OSN4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	79.34
Dipole, Da:	4.65
IP(EA), eV:	-9.23(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(S1)NC(=O)C2=CC=NN2C)C#N)C3=CC=CC=C3

DOS

IR

Vibrations