Geometry & MOs

Info

ID:	222669
PubChem CID:	85309558
Reduced:	FO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	361.06774
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	2.6
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-bromophenyl)methyl-methylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CCC(=COCC2=CC=CC=C2)C(C1)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations