Geometry & MOs

Info

ID:	179671
PubChem CID:	76518314
Reduced:	F2N5O6C26H29 (1)
Stoich.:	A2B5C6D26E29 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-189.57
Dipole, Da:	11.24
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(5-methoxy-1H-indole-2-carbonyl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)F)CON=C2CN(CC2CN)C3=NC4C(C=C3F)C(=O)C(=CN4C5CC5)C(=O)O)OC

DOS

IR

Vibrations