Geometry & MOs

Info

ID:	141612
PubChem CID:	52902640
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-146.08
Dipole, Da:	14.13
IP(EA), eV:	-8.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-[(2-cyanophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C[C@@H](CC(=O)NC2=CC(=CC=C2)OC)C(=O)[O-]

DOS

IR

Vibrations