Geometry & MOs

Info

ID:	404245
PubChem CID:	135065523
Reduced:	O5C18H28 (1)
Stoich.:	A5B18C28 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-240.15
Dipole, Da:	3.98
IP(EA), eV:	-9.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2-methylphenyl)-phenylmethyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@]2(C(=O)C=C([C@@]1(O2)C)CCCCO)C(C)C

DOS

IR

Vibrations