Geometry & MOs

Info

ID:	344276
PubChem CID:	127267452
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	47.7
Dipole, Da:	4.19
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3-methylimidazole-4-carbonyl)amino]-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1C=NC(=N1)C(=O)NCC2=NSC3=CC=CC=C32

DOS

IR

Vibrations