Geometry & MOs

Info

ID:	220515
PubChem CID:	85197640
Reduced:	ClO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-153.89
Dipole, Da:	9.37
IP(EA), eV:	-9.24(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-(chloromethyl)-4-hydroxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxylate

Drug info:

PubChemData

Smile

CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=CC(=C3)OC)Cl)OC

DOS

IR

Vibrations