Geometry & MOs

Info

ID:	181661
PubChem CID:	76771452
Reduced:	NSiO4C30H49 (1)
Stoich.:	ABC4D30E49 (1)
Weight, g/mol:	420.231397
ΔH_f, kcal/mol:	-259.96
Dipole, Da:	3.29
IP(EA), eV:	-8.8(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-6-[2-[4-(5-pyrrolidin-2-yl-1H-imidazol-4-yl)phenyl]ethynyl]-3H-indole

Drug info:

PubChemData

Smile

CC1C(CC23CCC4(O2)C5CCC(C5(CC=C4C=C3C1OC(=O)C)C)O[Si](C)(C)C(C)(C)C)CNC

DOS

IR

Vibrations