Geometry & MOs

Info

ID:	209657
PubChem CID:	80700135
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	2.79
IP(EA), eV:	-9.36(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,3-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C1)(C(=O)OC)NCC#C)C

DOS

IR

Vibrations