Geometry & MOs

Info

ID:	201817
PubChem CID:	79587982
Reduced:	BrNSO2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	285.230394
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	4.09
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1(CCCC1CCSC2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations