Geometry & MOs

Info

ID:	188053
PubChem CID:	77661548
Reduced:	O3C19H28 (1)
Stoich.:	A3B19C28 (1)
Weight, g/mol:	543.240959
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	2.5
IP(EA), eV:	-8.29(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(4-methylnaphthalen-2-yl)-tritylamino]butanedioate

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4CC(C(=CC4(C3=CC2)C)O)(O)O

DOS

IR

Vibrations