Geometry & MOs

Info

ID:	184004
PubChem CID:	77101190
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	6.12
IP(EA), eV:	-9.27(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-[(3-fluorophenyl)methyl-methylamino]but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN(C)CC1=CC=C(C=C1)C)C(=O)O

DOS

IR

Vibrations