Geometry & MOs

Info

ID:	381334
PubChem CID:	134972038
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	441.266779
ΔH_f, kcal/mol:	-108.78
Dipole, Da:	2.54
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3C(C(C(O3)CO)O)O)N

DOS

IR

Vibrations