Geometry & MOs

Info

ID:	390500
PubChem CID:	134999446
Reduced:	NO7C15H25 (1)
Stoich.:	AB7C15D25 (1)
Weight, g/mol:	382.144806
ΔH_f, kcal/mol:	-341.55
Dipole, Da:	3.26
IP(EA), eV:	-10.07(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(6-chloro-1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C(C(=O)OC(C)C)NC(=O)C)C(=O)OCC

DOS

IR

Vibrations