Geometry & MOs

Info

ID:	270774
PubChem CID:	103638063
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	1.57
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-ethoxyacetamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=CC(=C1)Br)O)SC

DOS

IR

Vibrations