Geometry & MOs

Info

ID:	338800
PubChem CID:	127259811
Reduced:	ClO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	2.72
IP(EA), eV:	-9.0(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl 2-phenylacetate

Drug info:

PubChemData

Smile

CC(OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl)OC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations