Geometry & MOs

Info

ID:	406849
PubChem CID:	135078788
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	3.82
IP(EA), eV:	-9.26(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(1-prop-2-enoxyhexyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)N(C2CCCCC2)C(=O)OC)C

DOS

IR

Vibrations