Geometry & MOs

Info

ID:	393892
PubChem CID:	135021919
Reduced:	NO7C24H31 (1)
Stoich.:	AB7C24D31 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-270.92
Dipole, Da:	6.24
IP(EA), eV:	-8.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-benzylpyrrolo[2,3-f]benzotriazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=CC(=C(C=C1)OC)OC)OC(=O)OC(C)(C)C)C(=O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations