Geometry & MOs

Info

ID:	401365
PubChem CID:	135051055
Reduced:	BrNSiO2C23H32 (1)
Stoich.:	ABCD2E23F32 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	2.92
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzylisoindole-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(C=C)C1=C(C=CC=C1OC)NCC2=CC=C(C=C2)Br

DOS

IR

Vibrations