Geometry & MOs

Info

ID:	376710
PubChem CID:	134222735
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-168.79
Dipole, Da:	2.1
IP(EA), eV:	-9.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-amino-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations