Geometry & MOs

Info

ID:	176966
PubChem CID:	76118907
Reduced:	N2O6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-217.37
Dipole, Da:	3.56
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-ethynyl-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C(C1OC=O)NC(=O)C2=CC=C(C=C2)O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations