Geometry & MOs

Info

ID:	431020
PubChem CID:	135171090
Reduced:	OSN5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	39.26
Dipole, Da:	2.9
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations