Geometry & MOs

Info

ID:	342903
PubChem CID:	127266066
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	2.83
IP(EA), eV:	-8.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,3R)-2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CNC1=CC=CC=C1C(=O)NCC2(CC2)C(=O)OC

DOS

IR

Vibrations