Geometry & MOs

Info

ID:	411404
PubChem CID:	135084227
Reduced:	NI2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	3.04
IP(EA), eV:	-9.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-7-hydroxyhept-5-enyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N(CCI)CCI

DOS

IR

Vibrations