Geometry & MOs

Info

ID:	224956
PubChem CID:	85735129
Reduced:	N3O9H13C21 (1)
Stoich.:	A3B9C13D21 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	8.22
IP(EA), eV:	-9.54(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-2-enyl 2-amino-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(C(=CC(=C3)[N+](=O)[O-])C(=O)O)C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations