Geometry & MOs

Info

ID:	390537
PubChem CID:	134999619
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	6.49
IP(EA), eV:	-9.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1R)-1-phenylethyl]-prop-2-enylamino]pent-4-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CC=O)C[N+](=O)[O-]

DOS

IR

Vibrations