Geometry & MOs

Info

ID:	390742
PubChem CID:	135000677
Reduced:	NO2C29H43 (1)
Stoich.:	AB2C29D43 (1)
Weight, g/mol:	415.251129
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	2.73
IP(EA), eV:	-8.71(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[benzyl-[(1R)-1-phenylethyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCC(CC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)[C@H](C)C2=CC=CC=C2

DOS

IR

Vibrations