Geometry & MOs

Info

ID:	186126
PubChem CID:	77393173
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	551.28964
ΔH_f, kcal/mol:	92.47
Dipole, Da:	7.55
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]isoquinolin-1-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C2CCC3C(NNC3C2(C=C(C1=O)C#N)C)C4=CC=CC=C4

DOS

IR

Vibrations